2-[2-(2-methoxypentyl)phenyl]acetonitrile

C14H19NO — CID 156654421

IUPAC2-[2-(2-methoxypentyl)phenyl]acetonitrile
SMILESCCCC(Cc1ccccc1CC#N)OC
InChIInChI=1S/C14H19NO/c1-3-6-14(16-2)11-13-8-5-4-7-12(13)9-10-15/h4-5,7-8,14H,3,6,9,11H2,1-2H3
InChIKeyPJANBIIKZMJYEL-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.11
Rot. Bonds6

About 2-[2-(2-methoxypentyl)phenyl]acetonitrile

2-[2-(2-methoxypentyl)phenyl]acetonitrile (PubChem CID 156654421) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-[2-(2-methoxypentyl)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[2-(2-methoxypentyl)phenyl]acetonitrile
PubChem CID156654421
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2-[2-(2-methoxypentyl)phenyl]acetonitrile
SMILESCCCC(Cc1ccccc1CC#N)OC
InChIInChI=1S/C14H19NO/c1-3-6-14(16-2)11-13-8-5-4-7-12(13)9-10-15/h4-5,7-8,14H,3,6,9,11H2,1-2H3
InChIKeyPJANBIIKZMJYEL-UHFFFAOYSA-N
XLogP3.11
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzene, [2-(1-methylethoxy)ethyl]-
CID 106442
3-Phenyllactonitrile
CID 291037
2-(4-Fluorophenyl)-4-methoxybutanenitrile (47)
CID 56840704
2-Methoxy-2-phenylacetonitrile
CID 320056
gamma-Methoxybenzenebutanenitrile
CID 97991
3-Hydroxy-2-phenylpropionitrile
CID 11008065
gamma-Ethoxybenzenebutanenitrile
CID 97967
gamma-(1-Methylethoxy)benzenebutanenitrile
CID 97973
(S)-alpha-Hydroxybenzenepropanenitrile
CID 12521933
2-Benzyl-2-tert-butylperoxypropanedinitrile
CID 71451640
2-(2-Phenylethoxy)acetonitrile
CID 5241082
2-(Methoxymethyl)benzonitrile
CID 13743590

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxypentyl)phenyl]acetonitrile?
The IUPAC name of 2-[2-(2-methoxypentyl)phenyl]acetonitrile (CID 156654421) is 2-[2-(2-methoxypentyl)phenyl]acetonitrile.
What is the SMILES notation for 2-[2-(2-methoxypentyl)phenyl]acetonitrile?
The canonical SMILES for 2-[2-(2-methoxypentyl)phenyl]acetonitrile is CCCC(Cc1ccccc1CC#N)OC.
What is the InChIKey of 2-[2-(2-methoxypentyl)phenyl]acetonitrile?
The InChIKey is PJANBIIKZMJYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-3-6-14(16-2)11-13-8-5-4-7-12(13)9-10-15/h4-5,7-8,14H,3,6,9,11H2,1-2H3.
What are the key properties of 2-[2-(2-methoxypentyl)phenyl]acetonitrile?
2-[2-(2-methoxypentyl)phenyl]acetonitrile has a molecular weight of 217.31 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxypentyl)phenyl]acetonitrile is sourced from PubChem (CID 156654421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).